COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.545   2.190  -7.988  1.00  0.00           N  
HETATM    2  C   UNL     1       4.379   2.035  -8.586  1.00  0.00           C  
HETATM    3  N   UNL     1       3.304   1.629  -7.944  1.00  0.00           N  
HETATM    4  C   UNL     1       3.355   1.349  -6.646  1.00  0.00           C  
HETATM    5  C   UNL     1       4.573   1.504  -5.962  1.00  0.00           C  
HETATM    6  C   UNL     1       5.692   1.940  -6.691  1.00  0.00           C  
HETATM    7  N   UNL     1       6.920   2.105  -6.073  1.00  0.00           N  
HETATM    8  N   UNL     1       4.351   1.164  -4.670  1.00  0.00           N  
HETATM    9  C   UNL     1       3.104   0.824  -4.519  1.00  0.00           C  
HETATM   10  N   UNL     1       2.447   0.925  -5.709  1.00  0.00           N  
HETATM   11  C   UNL     1       1.032   0.629  -5.946  1.00  0.00           C  
HETATM   12  C   UNL     1       0.827  -0.880  -6.230  1.00  0.00           C  
HETATM   13  O   UNL     1       1.018  -1.169  -7.617  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.654  -1.089  -5.822  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.501  -1.051  -6.973  1.00  0.00           O  
HETATM   16  P   UNL     1      -2.276  -2.460  -7.028  1.00  0.00           P  
HETATM   17  O   UNL     1      -3.075  -2.633  -5.794  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.253  -2.486  -8.307  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.205  -3.657  -7.145  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.954   0.095  -4.883  1.00  0.00           C  
HETATM   21  O   UNL     1       0.258   0.855  -4.749  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.397  -0.424  -3.514  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.666   0.680  -2.649  1.00  0.00           O  
HETATM   24  P   UNL     1      -2.124   0.063  -1.234  1.00  0.00           P  
HETATM   25  O   UNL     1      -3.338  -0.761  -1.426  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.941  -0.853  -0.640  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.445   1.259  -0.206  1.00  0.00           O  
HETATM   28  P   UNL     1      -2.894   0.573   1.179  1.00  0.00           P  
HETATM   29  O   UNL     1      -4.096  -0.258   0.950  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.698  -0.351   1.733  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.232   1.718   2.260  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.958   2.086   4.535  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.622   1.050   3.461  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.728   2.953   4.810  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.107   2.971   4.048  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.376   1.371   5.821  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.602   0.671   5.600  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.304   0.391   6.222  1.00  0.00           C  
HETATM   39  O   UNL     1      -3.503  -0.800   6.121  1.00  0.00           O  
HETATM   40  N   UNL     1      -2.123   0.839   6.693  1.00  0.00           N  
HETATM   41  C   UNL     1      -1.111  -0.111   7.159  1.00  0.00           C  
HETATM   42  C   UNL     1       0.124   0.652   7.638  1.00  0.00           C  
HETATM   43  C   UNL     1       1.165  -0.326   8.117  1.00  0.00           C  
HETATM   44  O   UNL     1       0.941  -1.517   8.078  1.00  0.00           O  
HETATM   45  N   UNL     1       2.346   0.122   8.587  1.00  0.00           N  
HETATM   46  C   UNL     1       3.358  -0.828   9.053  1.00  0.00           C  
HETATM   47  C   UNL     1       4.594  -0.064   9.532  1.00  0.00           C  
HETATM   48  S   UNL     1       5.847  -1.242  10.109  1.00  0.00           S  
HETATM   49  S   UNL     1       6.146  -2.315   8.387  1.00  0.00           S  
HETATM   50  H   UNL     1       4.303   2.250  -9.642  1.00  0.00           H  
HETATM   51  H   UNL     1       7.685   2.406  -6.587  1.00  0.00           H  
HETATM   52  H   UNL     1       7.014   1.919  -5.125  1.00  0.00           H  
HETATM   53  H   UNL     1       2.655   0.509  -3.589  1.00  0.00           H  
HETATM   54  H   UNL     1       0.648   1.230  -6.770  1.00  0.00           H  
HETATM   55  H   UNL     1       1.491  -1.485  -5.613  1.00  0.00           H  
HETATM   56  H   UNL     1       1.931  -0.931  -7.828  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.775  -2.034  -5.293  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.696  -3.346  -8.303  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.707  -3.508  -7.960  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.737   0.720  -5.313  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.605  -1.038  -3.085  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.300  -1.024  -3.628  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.171  -0.279  -0.531  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.936   0.228   1.868  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.804   0.419   3.808  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.499   0.432   3.265  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.876   2.312   5.038  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.504   3.556   3.931  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.927   3.607   5.659  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.003   2.365   3.916  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.302   3.752   4.783  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.835   3.429   3.096  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.515   2.103   6.616  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.436   0.034   4.891  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.943   1.792   6.723  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.516  -0.699   7.982  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.833  -0.775   6.340  1.00  0.00           H  
HETATM   78  H   UNL     1       0.530   1.240   6.814  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.153   1.316   8.456  1.00  0.00           H  
HETATM   80  H   UNL     1       2.525   1.075   8.618  1.00  0.00           H  
HETATM   81  H   UNL     1       2.952  -1.416   9.876  1.00  0.00           H  
HETATM   82  H   UNL     1       3.636  -1.493   8.235  1.00  0.00           H  
HETATM   83  H   UNL     1       4.999   0.523   8.709  1.00  0.00           H  
HETATM   84  H   UNL     1       4.316   0.599  10.350  1.00  0.00           H  
HETATM   85  H   UNL     1       7.075  -3.188   8.815  1.00  0.00           H  
CONECT    1    2    6    6                                            
CONECT    2    1    3    3   50                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   10                                       
CONECT    5    4    4    6    8                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6   51   52                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   53                                       
CONECT   10    4    9   11                                            
CONECT   11   10   12   21   54                                       
CONECT   12   11   13   14   55                                       
CONECT   13   12   56                                                 
CONECT   14   12   15   20   57                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   18                                       
CONECT   16   19                                                      
CONECT   17   16   16                                                 
CONECT   18   16   58                                                 
CONECT   19   16   59                                                 
CONECT   20   14   21   22   60                                       
CONECT   21   11   20                                                 
CONECT   22   20   23   61   62                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24   63                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   64                                                 
CONECT   31   28   33                                                 
CONECT   32   33   34   35   36                                       
CONECT   33   31   32   65   66                                       
CONECT   34   32   67   68   69                                       
CONECT   35   32   70   71   72                                       
CONECT   36   32   37   38   73                                       
CONECT   37   36   74                                                 
CONECT   38   36   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   75                                            
CONECT   41   40   42   76   77                                       
CONECT   42   41   43   78   79                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   80                                            
CONECT   46   45   47   81   82                                       
CONECT   47   46   48   83   84                                       
CONECT   48   47   49                                                 
CONECT   49   48   85                                                 
CONECT   50    2                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   26                                                      
CONECT   64   30                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
CONECT   80   45                                                      
CONECT   81   46                                                      
CONECT   82   46                                                      
CONECT   83   47                                                      
CONECT   84   47                                                      
CONECT   85   49                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
